SCHEMBL8026050

SCHEMBL8026050

Cc1ncc([N+](=O)[O-])n1C(C)C(N)CCCCCCCN

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.43
ATM Q13315 1/20 0.43
LMNA P02545 4/20 0.39
ALDH1A1 P00352 3/20 0.39
THRB P10828 2/20 0.39
TSHR P16473 1/20 0.39
CA1 P00915 5/20 0.39
CA2 P00918 5/20 0.39
CA9 Q16790 5/20 0.39
CHRM1 P11229 1/20 0.38
CA12 O43570 4/20 0.38
GLA P06280 1/20 0.37
GAA P10253 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
KMT2A Q03164 1/20 0.34
KDM4E B2RXH2 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8024400 0.95 MAPK1 (0.45) MAPK1ATMLMNAALDH1A1THRB
SCHEMBL8595549 0.85 MAPK1 (0.42) MAPK1ATMLMNAALDH1A1THRB
SCHEMBL7803498 0.81 MAPK1 (0.40) MAPK1ATMLMNAALDH1A1THRB
SCHEMBL8885703 0.80 MAPK1 (0.44) MAPK1ATMLMNAALDH1A1THRB
SCHEMBL8887768 0.77 MAPK1 (0.46) MAPK1ATMLMNAALDH1A1THRB
SCHEMBL7803388 0.76 LMNA (0.54) MAPK1ATMLMNAALDH1A1THRB
SCHEMBL8888171 0.74 LMNA (0.56) MAPK1ATMLMNAALDH1A1THRB
SCHEMBL13433889 0.72 MAPK1 (0.55) MAPK1ATMLMNAALDH1A1THRB
SCHEMBL8054020 0.72 LMNA (0.43) MAPK1ATMLMNAALDH1A1THRB
SCHEMBL8048622 0.70 LMNA (0.43) MAPK1ATMLMNAALDH1A1THRB

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0830357-A4 RADIOSENSITIZING DIAMINES AND THEIR PHARMACEUTICAL PREPARATIONS UNIV FLORIDA STATE (US) 2000-01-19 EP disclosed
EP-0830357-A1 RADIOSENSITIZING DIAMINES AND THEIR PHARMACEUTICAL PREPARATIONS FLORIDA STATE UNIVERSITY (US) 1998-03-25 EP disclosed
WO-1996030365-A1 RADIOSENSITIZING DIAMINES AND THEIR PHARMACEUTICAL PREPARATIONS FLORIDA STATE UNIVERSITY (US) 1996-10-03 WO disclosed